AA92938
174699-11-7 | (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA92938
ChemicalName
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber
174699-11-7
MolecularFormula
C16H21NO4
MolecularWeight
291.3422
MdlNumber
MFCD07374392
Smiles
CCOC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity
352
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
6
Xlogp3
2.3
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CatalogNumber: AA92938
ChemicalName: (S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber: 174699-11-7
MolecularFormula: C16H21NO4
MolecularWeight: 291.3422
MdlNumber: MFCD07374392
Smiles: CCOC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity: 352
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 2.3
CatalogNumber:
AA92938
ChemicalName:
(S)-Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-ethyl ester
CasNumber:
174699-11-7
MolecularFormula:
C16H21NO4
MolecularWeight:
291.3422
MdlNumber:
MFCD07374392
Smiles:
CCOC(=O)[C@H]1CCCN(C1)C(=O)OCc1ccccc1
Complexity:
352
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
2.3
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Smiles: OC(=O)C(=O)O.CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O
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Smiles:
OC(=O)C(=O)O.CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O
Complexity:
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Smiles: NCCCc1cccc(c1)Br
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Smiles:
NCCCc1cccc(c1)Br
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Smiles: COC(=O)C12CCC(C(=O)C1)(CC2=O)C(=O)OC
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MolecularFormula:
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Smiles:
COC(=O)C12CCC(C(=O)C1)(CC2=O)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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